N-methyl-4-(2-pyridin-3-ylethynyl)aniline

C14H12N2 — CID 151245112

IUPACN-methyl-4-(2-pyridin-3-ylethynyl)aniline
SMILESCNc1ccc(C#Cc2cccnc2)cc1
InChIInChI=1S/C14H12N2/c1-15-14-8-6-12(7-9-14)4-5-13-3-2-10-16-11-13/h2-3,6-11,15H,1H3
InChIKeyNRDBVUACFAQNKY-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.52
Rot. Bonds1

About N-methyl-4-(2-pyridin-3-ylethynyl)aniline

N-methyl-4-(2-pyridin-3-ylethynyl)aniline (PubChem CID 151245112) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-methyl-4-(2-pyridin-3-ylethynyl)aniline.

Molecular Properties

Compound NameN-methyl-4-(2-pyridin-3-ylethynyl)aniline
PubChem CID151245112
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC NameN-methyl-4-(2-pyridin-3-ylethynyl)aniline
SMILESCNc1ccc(C#Cc2cccnc2)cc1
InChIInChI=1S/C14H12N2/c1-15-14-8-6-12(7-9-14)4-5-13-3-2-10-16-11-13/h2-3,6-11,15H,1H3
InChIKeyNRDBVUACFAQNKY-UHFFFAOYSA-N
XLogP2.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-methylphenyl)ethynyl]pyridine
CID 11252533
3-[2-[4-[4-(2-pyridin-3-ylethynyl)phenyl]phenyl]ethynyl]pyridine
CID 71527861
azane;N-methylpyridin-3-amine
CID 70247108
1-[4-(2-pyridin-3-ylethynyl)phenyl]ethanone
CID 86068222
methyl 4-(2-pyridin-3-ylethynyl)benzoate
CID 15898469
ethane;N-methylpyridin-3-amine
CID 91430147
3-[2-(3-methylphenyl)ethynyl]pyridine
CID 67047652
N-methyl-4-[8-[4-(methylamino)phenyl]octa-1,3,5,7-tetraynyl]aniline
CID 122214138
N-hydroxy-2-(methylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide
CID 87563795
4-pyridin-3-ylbut-3-yn-2-ol
CID 11147806
N-methylazecin-6-amine
CID 146292904
ethane;3-ethynylpyridine
CID 143766952

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-pyridin-3-ylethynyl)aniline?
The IUPAC name of N-methyl-4-(2-pyridin-3-ylethynyl)aniline (CID 151245112) is N-methyl-4-(2-pyridin-3-ylethynyl)aniline.
What is the SMILES notation for N-methyl-4-(2-pyridin-3-ylethynyl)aniline?
The canonical SMILES for N-methyl-4-(2-pyridin-3-ylethynyl)aniline is CNc1ccc(C#Cc2cccnc2)cc1.
What is the InChIKey of N-methyl-4-(2-pyridin-3-ylethynyl)aniline?
The InChIKey is NRDBVUACFAQNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-15-14-8-6-12(7-9-14)4-5-13-3-2-10-16-11-13/h2-3,6-11,15H,1H3.
What are the key properties of N-methyl-4-(2-pyridin-3-ylethynyl)aniline?
N-methyl-4-(2-pyridin-3-ylethynyl)aniline has a molecular weight of 208.26 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-pyridin-3-ylethynyl)aniline is sourced from PubChem (CID 151245112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).